CID 56936064

5-ethyl-7-methyl-3e,5e,7e-undecatriene

Structural Information

Molecular Formula
C14H24
SMILES
CCC/C=C(\C)/C=C(\CC)/C=C/CC
InChI
InChI=1S/C14H24/c1-5-8-10-13(4)12-14(7-3)11-9-6-2/h9-12H,5-8H2,1-4H3/b11-9+,13-10+,14-12+
InChIKey
WELYARNIAKLKDT-OBZGEHOJSA-N
Compound name
(3E,5E,7E)-5-ethyl-7-methylundeca-3,5,7-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1878 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.19508 151.5
[M+Na]+ 215.17702 156.2
[M-H]- 191.18052 150.9
[M+NH4]+ 210.22162 171.4
[M+K]+ 231.15096 153.1
[M+H-H2O]+ 175.18506 146.4
[M+HCOO]- 237.18600 171.4
[M+CH3COO]- 251.20165 188.5
[M+Na-2H]- 213.16247 152.0
[M]+ 192.18725 152.2
[M]- 192.18835 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.